200,000+ products from a single source!
sales@angenechem.com
105639-09-6 | Isoxazole,5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-(1,1-dimethylethyl)phenoxy]pentyl]-3-methyl-
CAS No: 105639-09-6 Catalog No: AG0084FB MDL No:
Product Description
Catalog Number:
AG0084FB
Chemical Name:
Isoxazole,5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-(1,1-dimethylethyl)phenoxy]pentyl]-3-methyl-
CAS Number:
105639-09-6
Molecular Formula:
C22H30N2O3
Molecular Weight:
370.4852
IUPAC Name:
5-[5-[2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C22H30N2O3/c1-16-14-18(27-24-16)8-6-5-7-12-25-20-10-9-17(21-23-11-13-26-21)15-19(20)22(2,3)4/h9-10,14-15H,5-8,11-13H2,1-4H3
InChI Key:
SLOLPUCHQAUMGG-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCOc1ccc(cc1C(C)(C)C)C1=NCCO1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.226g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.493g/mol
Monoisotopic Mass:
370.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Structure-activity studies of 5-[[4-(4,5-dihydro-2-oxazolyl) phenoxy]alkyl]-3-methylisoxazoles: inhibitors of picornavirus uncoating. | Journal of medicinal chemistry 19870201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.